<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365602</id>
  <title nil="true"/>
  <common-name>Methyl (2s,4r,5r)-2,5-dimethylpiperidine-4-carboxylate</common-name>
  <description>Methyl (2s,4r,5r)-2,5-dimethylpiperidine-4-carboxylate is a chemical compound with the formula C9H17NO2. It has an average molecular weight of 171.24 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>125458026</pubchem-id>
  <chemical-formula>C9H17NO2</chemical-formula>
  <weight>171.24</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-09-01T16:18:19Z</created-at>
  <updated-at type="dateTime">2026-09-01T16:18:19Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1CC(C(CN1)C)C(=O)OC</moldb-smiles>
  <moldb-formula>C9H17NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C9H17NO2/c1-6-5-10-7(2)4-8(6)9(11)12-3/h6-8,10H,4-5H2,1-3H3/t6-,7-,8+/m0/s1</moldb-inchi>
  <moldb-inchikey>SZECQDVGKJMCHD-BIIVOSGPSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">171.1259288</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM361495</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>Methyl (2s,4r,5r)-2,5-dimethylpiperidine-4-carboxylate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315551</sync-id>
  <structure-inchikey>SZECQDVGKJMCHD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000000000000200000004000000000000000000000800000000000000000000000000000000000000000020000000000000002000000000000000000010000000020000000000100000000000000000000000000010000000040000000000000000000020000000000000000000000100000000040000000020000202000000080000000000000000000000000080000000800040000000000000000000000000040000000000000000000001000000000000000000000000000000000000000000000000000000000000002000000000000000000000000100000000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������������������������������	(��
 
�����B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:39Z</structure-indexed-at>
</compound>
